Materials Data on TbFe5P3 by Materials Project
Abstract
TbFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Tb–Fe bond distances ranging from 2.94–3.12 Å. There are a spread of Tb–P bond distances ranging from 2.80–2.89 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.26–2.54 Å. In the second Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.32 Å. In the third Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.35 Å. In the fourth Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are two shorter (2.31 Å) and twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203752
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TbFe5P3; Fe-P-Tb
- OSTI Identifier:
- 1666618
- DOI:
- https://doi.org/10.17188/1666618
Citation Formats
The Materials Project. Materials Data on TbFe5P3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666618.
The Materials Project. Materials Data on TbFe5P3 by Materials Project. United States. doi:https://doi.org/10.17188/1666618
The Materials Project. 2020.
"Materials Data on TbFe5P3 by Materials Project". United States. doi:https://doi.org/10.17188/1666618. https://www.osti.gov/servlets/purl/1666618. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1666618,
title = {Materials Data on TbFe5P3 by Materials Project},
author = {The Materials Project},
abstractNote = {TbFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Tb–Fe bond distances ranging from 2.94–3.12 Å. There are a spread of Tb–P bond distances ranging from 2.80–2.89 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.26–2.54 Å. In the second Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.32 Å. In the third Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.35 Å. In the fourth Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Tb and four P atoms to form distorted FeTbP4 tetrahedra that share corners with nine FeTb3P4 tetrahedra, edges with five FeTbP4 tetrahedra, and faces with two equivalent FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.16–2.25 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms.},
doi = {10.17188/1666618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}